SCHEMBL3413449

SCHEMBL3413449

CN1CCN(CC(=O)Nc2ccc3nc(NC4CCc5cc(F)ccc54)ccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TERT O14746 1/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
DRD4 P21917 3/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
KCNT1 Q5JUK3 1/20 0.41
ERBB2 P04626 1/20 0.41
EGFR P00533 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ESR1 P03372 2/20 0.40
PDGFRB P09619 2/20 0.40
KDR P35968 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3409108 0.93 USP2 (0.43) ALDH1A1TERTUSP2HTTDRD4
SCHEMBL3411341 0.92 USP2 (0.40) TRPV1ALDH1A1TERTUSP2HTT
SCHEMBL4117870 0.91 ATM (0.49) ALDH1A1TERTUSP2HTTL3MBTL1
SCHEMBL4101994 0.89 MGLL (0.44) ALDH1A1TERTHTTDRD4EGFR
SCHEMBL4097391 0.86 DRD4 (0.43) ALDH1A1TERTHTTDRD4EGFR
SCHEMBL4116723 0.85 POLB (0.44) ALDH1A1TERTDRD4GSK3BDYRK1A
SCHEMBL4111354 0.84 NAMPT (0.42) TRPV1
SCHEMBL4099205 0.84 TRPV1 (0.44) TRPV1ALDH1A1DYRK1ACHRNB2CHRNA4
SCHEMBL3408996 0.83 DRD4 (0.44) ALDH1A1USP2DRD4ESR1PDGFRB
SCHEMBL4114887 0.81 NPC1 (0.41) TRPV1ALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A TRPV1 379/4885ALDH1A1 1203/4885TERT 4268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.